Mrv1533004231519432D 22 25 0 0 0 0 999 V2000 3.2066 -2.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 -1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 -0.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 1.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7172 0.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6075 -0.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8776 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6877 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6075 -2.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 -1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4472 -0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 -1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 11 18 1 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 5 21 1 0 0 0 0 21 22 2 0 0 0 0 2 22 1 0 0 0 0 M END > NP0330411 > NP-MRD > OC1=CC=C2C(=O)C3OCC4=CC(O)=C(O)C=C4C3OC2=C1 > InChI=1S/C16H12O6/c17-8-1-2-9-13(4-8)22-15-10-5-12(19)11(18)3-7(10)6-21-16(15)14(9)20/h1-5,15-19H,6H2 > ZKTRTVSORJMRTK-UHFFFAOYSA-N > C16H12O6 > 300.266 > 300.063388106 > 6 > 34 > 29.460885319410167 > 1 > 3 > 0 > 1 > 3,7,8-trihydroxy-5a,10,11a,12-tetrahydro-5,11-dioxatetraphen-12-one > 2.18 > 1.8643033946666665 > -2.76 > 0 > 4 > 0 > 9.110704567512137 > 7.677639042517059 > -4.1739675795636835 > 96.22000000000001 > 75.93380000000002 > 0 > 1 > 5.25e-01 g/l > 3,7,8-trihydroxy-10,11a-dihydro-5aH-5,11-dioxatetraphen-12-one > 0 > NP0330411 > 3,7,8-trihydroxy-10,11a-dihydro-5ah-5,11-dioxatetraphen-12-one $$$$